methyl 2-[methyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 2-[methyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[methyl-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 2-[methyl-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C17H19N5O4/c1-20(13-8-4-3-7-12(13)17(23)26-2)15-14(22(24)25)16(19-11-18-15)21-9-5-6-10-21/h3-4,7-8,11H,5-6,9-10H2,1-2H3